MODULE GaussQuadx_Module !----------------------------------------------------------------------- ! noscil Number of oscillators in each arrangement channel. ! nhermt Number of Gauss_Hermite quadrature points. ! nlegndre Number of Legendre polynomials in each arrangement channel. ! nglegn Number of Gauss_Legendre quadrature points. ! alpha Harmonic oscillator exponential factor. ! ralpha Usually set to 0.95 to make the harmonic oscillator cover ! a larger range. This will improve the rate of convergence ! for the upper vibrational levels. ! re Vibrational equilibrium distance. ! rx Usually set to 1.1 which shifts the harmonic basis to ! larger distances. This improves the rate of convergence ! for upper vibrational states of anharmonic potentials. !----------------------------------------------------------------------- USE Narran_Module USE Numeric_Kinds_Module USE pow_Module SAVE ! go back to the old code to do X.L. 9-15-2006 INTEGER noscil(narran), nhermt(narran), nglegn(narran), nlegndre(narran) ! INTEGER npow(narran) REAL(Kind=WP_Kind) ralpha(narran), re(narran), rx(narran), weau(narran) REAL(Kind=WP_Kind) alpha(narran) REAL(Kind=WP_Kind) ,ALLOCATABLE :: xpth(:,:),wpth(:,:) ! NAMELIST/gaussq/ alpha, ralpha, re, rx, xpth, wpth, weau END MODULE GaussQuadx_Module